Write about project quantum chemistry

Assignment Help Chemistry

Reference no: EM13774821

Write about project quantum chemistry ?

1. Energy Optimization

2. Dipole Moment

3. High Resolution Rotation Vibration Spectrum

4. Ground state

5. Enthalpy, Entropy and Gibbs Free Energy

6. For both molecules individually and for dimer formed between them

7. Should be calculated with Semi-empirical, ab-initio, density functional theory, molecular modeling.

8. Should use at least three different basis sets: STO-3G, 6-311G(polarization, diffuse functions), cc-pVDZ (correlation consistent models).

Should be given in a Latex file buil

PH₃(C₅H₅)₂TiF₂

Reference no: EM13774821

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